Geometry & MOs

Info

ID:	266658
PubChem CID:	103577988
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	308.013474
ΔH_f, kcal/mol:	26.37
Dipole, Da:	10.93
IP(EA), eV:	-9.68(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(5-chlorothiophen-2-yl)ethylamino]-3-nitropyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCC(CC)CNC1=NC(=C(C=C1)[N+](=O)[O-])C#N

DOS

IR

Vibrations